Hydrochloric Acid → Hydrochloric Acid

HRID 296765Notes

Reaction equation

HRID 296765 reaction equation
[Cl:41][CH2:42][Cl:43].[ClH:40].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[c:1]1(-[c:7]2[n:8][c:9]3[n:10]([c:24]2-[c:25]2[cH:26][cH:27][c:28]([CH2:29][NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:38][cH:39]2)-[c:11]2[c:12]([n:20][cH:21][cH:22][cH:23]2)[NH:13][c:14]2[c:15]-3[cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:40].[c:1]1(-[c:7]2[n:8][c:9]3[n:10]([c:24]2-[c:25]2[cH:26][cH:27][c:28]([CH2:29][NH2:30])[cH:38][cH:39]2)-[c:11]2[c:12]([n:20][cH:21][cH:22][cH:23]2)[NH:13][c:14]2[c:15]-3[cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 67503559tert-butyl 4-(2-phenyl-9H-benzo[f]imidazo[1,2-d]pyrido[2,3-b][1,4]diazepin-3-yl)benzylcarbamate

Product 2

HCID 313Hydrochloric AcidHCID 67503636[4-(4-Phenyl-2,5,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methanamine

Sources & evidence

ORD record
ord-ddb94b21f5ec46d29b9d7509cdebf95a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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